SCHEMBL6835621

SCHEMBL6835621

N#Cc1ccc(NC(=O)c2cc(SCc3ccccc3)on2)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.42
ALB P02768 2/20 0.42
MCL1 Q07820 2/20 0.41
BCL2A1 Q16548 2/20 0.41
LTC4S Q16873 1/20 0.39
PYGL P06737 1/20 0.39
PYGM P11217 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CDK2 P24941 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
LMNA P02545 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6926558 0.85 MEN1 (0.48) MCL1BCL2A1LTC4SKDM4ETDP1
SCHEMBL6835684 0.82 ALB (0.42) ALBMCL1BCL2A1LTC4SPYGL
SCHEMBL6818018 0.81 ALB (0.49) ALBMCL1BCL2A1LTC4SPYGL
SCHEMBL6835560 0.80 ALB (0.45) ALBMCL1BCL2A1LTC4SPYGL
SCHEMBL6833211 0.80 SMN1; SMN2 (0.46) SCDALBMCL1BCL2A1ALDH1A1
SCHEMBL6834689 0.80 SMN1; SMN2 (0.43) SCDALBLTC4SPYGLPYGM
SCHEMBL6822132 0.80 ALB (0.45) ALBPYGLPYGMKDM4EALDH1A1
SCHEMBL6813729 0.79 TDP1 (0.55) SCDKDM4EALDH1A1TDP1MAPT
SCHEMBL6835713 0.78 ALB (0.45) ALBPYGLPYGMKDM4EALDH1A1
SCHEMBL6351822 0.78 SIRT2 (0.59) ALBMCL1BCL2A1LTC4SKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 SCD 1466/4885ALB 1417/4885MCL1 2086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.